UCSF

ZINC41569433

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.16 8.03 -8.68 1 4 0 51 298.367 4
Mid Mid (pH 6-8) 3.56 6.03 -44.29 0 4 -1 58 297.359 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )